Vibrational analysis for surge precursor definition in gas turbines
Sign Up to like & getrecommendations! Published in 2019 at "Meccanica"
DOI: 10.1007/s11012-019-01016-0
Abstract: Compressor behaviour analysis in critical working conditions, such as incipient surge, represents a significant aspect in the turbomachinery research field. Turbines connected with large-size volumes present critical issues related to surge prevention especially during transient… read more here.
Keywords: precursor definition; vibrational analysis; surge precursor; surge ... See more keywords
Vibrational analysis of Ag, Cu and Ni nanobeams using a hybrid continuum-atomistic model
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Mechanical Sciences"
DOI: 10.1016/j.ijmecsci.2019.105208
Abstract: Abstract An important issue in the study of the nanostructures behaviors is the surface effects, which increases with the increase of the surface-to-volume ratio. Continuum theories are capable of modeling structures at micro and larger… read more here.
Keywords: vibrational analysis; continuum; atomistic model; model ... See more keywords
Theoretical and experimental study of torsional potentials, molecular structure (monomer and dimer), vibrational analysis and molecular characteristics of some dimethyl bipyridines
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.127089
Abstract: Abstract This study deals with the determination of torsional potentials, molecular geometry in monomer and dimer form and vibrational assignments of 4,4′-dimethyl-2,2′-bipyridine (4DB); 5,5′-dimethyl-2,2′-bipyridine (5DB); and 6,6′-dimethyl-2,2′-bipyridine (6DB) using quantum chemical calculations carried out by… read more here.
Keywords: vibrational analysis; analysis; monomer dimer; torsional potentials ... See more keywords
Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b01171
Abstract: Normal vibrational modes are generally delocalized over the molecular system, which makes it difficult to assign certain vibrations to specific fragments or functional groups. We introduce a new approach, the Generalized Subsystem Vibrational Analysis (GSVA),… read more here.
Keywords: subsystem vibrational; vibrational analysis; intrinsic fragmental; generalized subsystem ... See more keywords
Vibrational Analysis of Manganese(II) Oxalates Hydrates: An In Silico Statistical Approach
Sign Up to like & getrecommendations! Published in 2020 at "ACS Omega"
DOI: 10.1021/acsomega.9b03434
Abstract: The experimental and computational vibrational study for three different manganese(II) oxalates hydrates was explored. The elucidation of IR and Raman spectra were discussed based on their structural singularity; in the same way, they establish some… read more here.
Keywords: manganese oxalates; oxalates hydrates; vibrational analysis; analysis manganese ... See more keywords
Vibrational analysis of harmonic oscillator chains with random topological constraints
Sign Up to like & getrecommendations! Published in 2022 at "Mathematics and Mechanics of Solids"
DOI: 10.1177/10812865221101131
Abstract: The effect of topological disorder on the dynamic behaviour of topologically constrained oscillator chains is investigated through a normal mode analysis. A measure for mode localization based on the skewness of the density of energy… read more here.
Keywords: oscillator; harmonic oscillator; vibrational analysis; oscillator chains ... See more keywords
Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms232415949
Abstract: Classical molecular-dynamics simulations have been performed to examine the interplay between ubiquitin and its hydration-water sub-layers, chiefly from a vibrational-mode and IR viewpoint—where we analyse individual sub-layers characteristics. The vibrational Density of States (VDOS) revealed… read more here.
Keywords: vibrational analysis; water; layer; molecular dynamics ... See more keywords